3-(Hydroxymethyl)benzoic acid

Basic Information

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CAS Number

28286-79-5

Molecular Formula

C8H8O3

Molecular Weight

152.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

114.5-115 ºC

Boiling Point

358.1°C at 760 mmHg

SMILES

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C1=CC(=CC(=C1)C(=O)O)CO

InChI

InChI=1S/C8H8O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2,(H,10,11)

InChIKey

UOKBFIOAEPCADP-UHFFFAOYSA-N

LogP

0.8771

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

144

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DTXSID80182535
28286-79-5
3-(hydroxymethyl)benzoic acid
A876747
Benzoic acid,3-(hydroxymethyl)-
MFCD06208242
CS-0067117
3-(HYDROXYMETHYL)-BENZOIC ACID
AKOS008124378
3-Hydroxymethyl-benzoic acid
AMY30313
SY110718
3-(hydroxymethyl)benzenecarboxylic acid
SCHEMBL129182
AB9436
3-(Hydroxymethyl)benzoicAcid
UOKBFIOAEPCADP-UHFFFAOYSA-N
FT-0649484
EN300-56953
3-Hydroxymethylbenzoic acid
Benzoic acid, 3-(hydroxymethyl)-
Z385458084
J-510881
3-hydroxymethyl benzoic acid
TS-02012
3-(Hydroxymethyl)benzoic acid
3-(Hydroxymethyl)-benzoic acid
31-Oxy-3-methyl-benzol-carbonsaeure-(1)
31-Oxy-m-toluylsaeure
3-Hydroxymethyl-benzoesaeure
m-(Hydroxymethyl)benzoic acid

MDL Number

MFCD06208242

FAQ

What regulatory guidelines apply to 3-(Hydroxymethyl)benzoic acid (CAS: 28286-79-5)?

3-(Hydroxymethyl)benzoic acid (CAS: 28286-79-5) is classified as a hazardous substance under GHS guidelines due to its corrosive properties. It is regulated under REACH in the EU, requiring manufacturers and importers to register the substance if the annual tonnage exceeds one ton. Additionally, it falls under FDA and EPA regulations for the handling and disposal of hazardous chemicals.

Are there alternatives to 3-(Hydroxymethyl)benzoic acid (CAS: 28286-79-5) in synthesis?

Alternatives to 3-(Hydroxymethyl)benzoic acid include 2-hydroxybenzoic acid and 4-hydroxybenzoic acid. These compounds can serve as substitutes in some synthetic routes due to their similar functional groups. Other reagents like salicylic acid and pyrogallol may also be used depending on the desired chemical properties and the specific application.

What is the market or research trend for 3-(Hydroxymethyl)benzoic acid (CAS: 28286-79-5)?

The market for 3-(Hydroxymethyl)benzoic acid (CAS: 28286-79-5) is growing due to its use in pharmaceuticals, agrochemicals, and industrial applications. Research trends focus on its potential as a precursor in the synthesis of bioactive compounds and its application in polymer chemistry. Market trends indicate increasing demand, driven by the development of new formulations and applications.

How should waste containing 3-(Hydroxymethyl)benzoic acid (CAS: 28286-79-5) be handled?

Waste containing 3-(Hydroxymethyl)benzoic acid (CAS: 28286-79-5) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, ensuring complete destruction of the substance. Environmental precautions include proper containment to prevent leakage and spillage, and adherence to local regulations for hazardous waste disposal.